#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 s SER 2 N 0.00 6.95 -0.57 4.04 0.01 -1.26 -4.77 113.70 118.10 1f54 s SER 2 Ca 0.00 1.17 0.04 0.00 1.31 0.00 0.00 55.95 58.47 1f54 s SER 2 Cb 0.00 -2.32 0.16 0.00 0.21 0.00 0.00 66.02 64.07 1f54 s SER 2 CO 0.00 0.21 0.39 0.54 0.41 0.00 0.00 173.24 174.80 1f54 s ASN 3 N -1.34 3.74 0.81 2.44 4.22 -1.26 -5.09 114.94 118.47 1f54 s ASN 3 Ca 0.32 -3.39 -0.12 0.00 -2.14 0.00 0.00 52.86 47.53 1f54 s ASN 3 Cb -0.18 -1.24 0.08 0.00 1.28 0.00 0.00 41.25 41.20 1f54 s ASN 3 CO 0.19 -0.15 1.14 -0.22 -2.04 0.00 0.00 177.10 176.02 1f54 s LEU 4 N -0.68 2.47 0.00 3.54 2.96 -1.26 -5.01 118.68 120.70 1f54 s LEU 4 Ca 0.25 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1f54 s LEU 4 Cb -0.07 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1f54 s LEU 4 CO -0.13 -1.96 0.00 0.41 -1.32 0.00 0.00 176.35 173.34 1f54 n THR 5 N -3.38 0.00 -0.10 3.68 -1.04 -1.26 -4.97 114.28 107.21 1f54 n THR 5 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1f54 n THR 5 Cb 0.59 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.07 1f54 n THR 5 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1f54 h GLU 6 N 0.00 0.59 -0.19 -2.82 4.11 -1.99 -1.63 114.58 112.64 1f54 h GLU 6 Ca 0.00 -0.22 -0.16 0.00 0.07 0.00 0.00 59.36 59.05 1f54 h GLU 6 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1f54 h GLU 6 CO 0.00 0.77 -0.54 0.93 0.07 0.00 0.00 179.01 180.24 1f54 h GLU 7 N 0.36 0.57 0.75 1.06 5.08 -1.99 -2.43 114.58 117.98 1f54 h GLU 7 Ca 0.08 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1f54 h GLU 7 Cb 0.56 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1f54 h GLU 7 CO 0.03 0.96 -0.36 0.37 -1.00 0.00 0.00 179.01 179.01 1f54 h GLN 8 N 0.44 -0.98 -0.92 2.33 5.75 -1.91 -2.44 115.11 117.38 1f54 h GLN 8 Ca 0.01 0.07 0.20 0.00 -0.15 0.00 0.00 58.65 58.78 1f54 h GLN 8 Cb 1.08 0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.79 1f54 h GLN 8 CO 0.10 -0.65 0.60 0.82 -2.65 0.00 0.00 178.83 177.05 1f54 h ILE 9 N -1.16 0.68 0.27 2.39 2.04 -1.37 -1.30 117.51 119.06 1f54 h ILE 9 Ca -0.10 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1f54 h ILE 9 Cb 0.78 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1f54 h ILE 9 CO 0.17 0.08 -0.24 0.00 0.00 0.00 0.00 178.15 178.16 1f54 h ALA 10 N 1.61 -0.52 -0.32 1.87 0.00 -1.17 -1.23 119.26 119.51 1f54 h ALA 10 Ca 0.48 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.39 1f54 h ALA 10 Cb 1.16 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1f54 h ALA 10 CO -0.19 -0.82 0.22 0.93 0.00 0.00 0.00 179.25 179.39 1f54 h GLU 11 N -0.53 0.04 -0.31 0.00 5.08 -0.77 -1.47 114.58 116.63 1f54 h GLU 11 Ca -0.01 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1f54 h GLU 11 Cb 0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1f54 h GLU 11 CO -0.03 0.03 -0.11 0.74 -1.00 0.00 0.00 179.01 178.64 1f54 h PHE 12 N 0.04 0.70 0.06 4.33 -1.00 -0.82 -2.49 116.94 117.76 1f54 h PHE 12 Ca 0.15 -0.16 0.01 0.00 2.81 0.00 0.00 57.97 60.77 1f54 h PHE 12 Cb 0.54 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1f54 h PHE 12 CO -0.00 0.82 -0.09 -0.22 -1.61 0.00 0.00 178.31 177.21 1f54 h LYS 13 N 0.38 -0.19 -0.81 1.51 3.64 -0.27 -0.10 116.57 120.73 1f54 h LYS 13 Ca 0.07 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1f54 h LYS 13 Cb 0.62 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.41 1f54 h LYS 13 CO 0.04 -0.12 0.45 1.49 -2.27 0.00 0.00 179.45 179.04 1f54 h GLU 14 N -0.19 0.72 0.02 1.90 4.81 -1.48 0.21 114.58 120.57 1f54 h GLU 14 Ca 0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1f54 h GLU 14 Cb 0.20 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1f54 h GLU 14 CO -0.05 0.48 -0.01 0.00 -0.73 0.00 0.00 179.01 178.70 1f54 h ALA 15 N 1.46 -0.72 -0.89 2.92 0.00 -0.94 0.37 119.26 121.46 1f54 h ALA 15 Ca 0.40 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.48 1f54 h ALA 15 Cb 0.40 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.03 1f54 h ALA 15 CO -0.26 -0.72 -0.24 0.35 0.00 0.00 0.00 179.25 178.38 1f54 h PHE 16 N -0.03 -0.52 0.00 0.00 3.57 -0.98 1.03 116.94 120.01 1f54 h PHE 16 Ca -0.00 0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1f54 h PHE 16 Cb 0.02 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1f54 h PHE 16 CO 0.16 -0.39 -0.34 0.00 -2.23 0.00 0.00 178.31 175.51 1f54 h ALA 17 N 1.84 1.22 0.00 2.41 0.00 -0.98 -2.69 119.26 121.05 1f54 h ALA 17 Ca 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1f54 h ALA 17 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1f54 h ALA 17 CO -0.92 0.43 0.25 1.25 0.00 0.00 0.00 179.25 180.26 1f54 h LEU 18 N 0.00 0.00 -2.57 0.00 6.46 0.55 0.60 115.31 120.35 1f54 h LEU 18 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1f54 h LEU 18 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1f54 h LEU 18 CO 0.04 0.00 -0.03 0.49 -0.62 0.00 0.00 178.44 178.32 1f54 n PHE 19 N -2.61 0.00 -2.02 1.25 3.01 -1.03 -4.95 117.46 111.12 1f54 n PHE 19 Ca -0.02 -0.47 -0.27 0.00 1.01 0.00 0.00 57.45 57.70 1f54 n PHE 19 Cb 0.29 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.64 1f54 n PHE 19 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1f54 s ASP 20 N -1.18 4.91 0.21 4.37 -4.77 0.20 -4.71 116.67 115.70 1f54 s ASP 20 Ca 0.06 -1.42 -0.05 0.00 -3.30 0.00 0.00 52.55 47.84 1f54 s ASP 20 Cb 0.05 -2.58 0.17 0.00 -1.09 0.00 0.00 42.92 39.47 1f54 s ASP 20 CO 0.01 -3.16 1.63 0.50 0.70 0.00 0.00 175.17 174.85 1f54 h LYS 21 N 10.18 0.83 0.00 2.11 3.64 -1.87 -2.25 116.57 129.21 1f54 h LYS 21 Ca 0.18 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1f54 h LYS 21 Cb 0.96 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1f54 h LYS 21 CO 1.20 0.95 0.00 -0.25 -2.27 0.00 0.00 179.45 179.08 1f54 n ASP 22 N -4.13 0.57 -1.57 4.20 8.00 -1.26 -4.82 116.55 117.54 1f54 n ASP 22 Ca 0.01 0.71 -0.16 0.00 0.71 0.00 0.00 54.79 56.06 1f54 n ASP 22 Cb 0.42 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 1f54 n ASP 22 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1f54 n ASN 23 N -2.21 -4.89 -2.67 -2.24 5.15 -0.85 -4.90 115.26 102.66 1f54 n ASN 23 Ca 0.00 0.18 -0.18 0.00 -0.60 0.00 0.00 54.58 53.98 1f54 n ASN 23 Cb 0.11 -3.92 0.01 0.00 -0.53 0.00 0.00 39.78 35.45 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1f54 n ASN 24 N -0.88 2.78 -3.44 1.20 3.02 -1.26 -4.93 115.26 111.75 1f54 n ASN 24 Ca -0.18 -3.17 -0.22 0.00 -0.03 0.00 0.00 54.58 50.98 1f54 n ASN 24 Cb 0.59 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f54 n GLY 25 N -0.19 -0.46 2.98 7.41 0.00 -1.26 -4.89 105.19 108.77 1f54 n GLY 25 Ca 0.23 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 1f54 n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f54 s SER 26 N -2.65 0.30 0.03 1.61 1.04 -1.26 -2.32 113.70 110.45 1f54 s SER 26 Ca 0.40 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 1f54 s SER 26 Cb -0.23 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1f54 s SER 26 CO 0.50 -0.25 0.00 0.27 0.98 0.00 0.00 173.24 174.74 1f54 s ILE 27 N -1.27 0.14 0.51 -1.02 -4.36 -0.10 -4.26 121.20 110.85 1f54 s ILE 27 Ca -0.13 -1.17 -0.19 0.00 -0.26 0.00 0.00 60.65 58.90 1f54 s ILE 27 Cb -0.09 -0.73 -0.07 0.00 1.25 0.00 0.00 42.46 42.82 1f54 s ILE 27 CO -0.01 -0.65 1.03 -0.55 0.24 0.00 0.00 174.94 175.00 1f54 s SER 28 N -1.97 6.29 0.24 4.36 0.15 -1.26 0.74 113.70 122.24 1f54 s SER 28 Ca -0.08 1.83 -0.11 0.00 0.70 0.00 0.00 55.95 58.30 1f54 s SER 28 Cb -0.03 -2.54 0.35 0.00 -1.71 0.00 0.00 66.02 62.08 1f54 s SER 28 CO -0.04 -0.82 1.60 -1.28 1.20 0.00 0.00 173.24 173.90 1f54 h SER 29 N 1.21 -0.71 -0.99 5.45 0.87 -1.86 1.00 113.55 118.53 1f54 h SER 29 Ca -0.48 0.24 0.26 0.00 -1.23 0.00 0.00 61.79 60.58 1f54 h SER 29 Cb 1.21 0.48 -0.06 0.00 -0.44 0.00 0.00 62.40 63.59 1f54 h SER 29 CO 0.59 -0.26 0.68 -1.28 -0.53 0.00 0.00 176.83 176.03 1f54 h SER 30 N 0.01 0.22 0.42 6.23 0.87 -1.91 0.19 113.55 119.57 1f54 h SER 30 Ca 0.39 0.03 -0.25 0.00 -1.23 0.00 0.00 61.79 60.73 1f54 h SER 30 Cb 0.60 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1f54 h SER 30 CO -0.81 0.06 -1.08 -0.33 -0.53 0.00 0.00 176.83 174.14 1f54 h GLU 31 N 0.21 0.38 -0.64 2.24 4.39 0.68 -3.22 114.58 118.62 1f54 h GLU 31 Ca 0.51 -0.49 0.10 0.00 0.34 0.00 0.00 59.36 59.81 1f54 h GLU 31 Cb 1.62 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.39 1f54 h GLU 31 CO -0.13 1.17 0.43 1.25 -1.16 0.00 0.00 179.01 180.57 1f54 h LEU 32 N 0.18 0.43 -0.41 1.33 5.85 0.15 -1.43 115.31 121.42 1f54 h LEU 32 Ca -0.11 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1f54 h LEU 32 Cb 1.75 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 1f54 h LEU 32 CO 0.19 0.26 0.24 0.00 -0.34 0.00 0.00 178.44 178.78 1f54 h ALA 33 N 1.68 0.51 0.59 1.25 0.00 -1.51 -0.79 119.26 120.99 1f54 h ALA 33 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1f54 h ALA 33 Cb 0.52 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1f54 h ALA 33 CO -0.09 -0.08 -0.28 1.15 0.00 0.00 0.00 179.25 179.94 1f54 h THR 34 N 0.49 0.00 -1.28 0.00 2.02 -1.40 -2.61 112.91 110.14 1f54 h THR 34 Ca 0.16 -0.10 0.39 0.00 0.77 0.00 0.00 66.41 67.63 1f54 h THR 34 Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.30 1f54 h THR 34 CO -0.07 0.00 0.84 -0.37 0.37 0.00 0.00 175.52 176.29 1f54 h VAL 35 N -0.89 0.25 0.86 3.16 -1.51 -1.43 0.23 116.25 116.92 1f54 h VAL 35 Ca -0.08 -0.05 -0.04 0.00 -1.23 0.00 0.00 66.70 65.30 1f54 h VAL 35 Cb 0.61 0.09 0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1f54 h VAL 35 CO 0.13 0.03 -0.44 -0.03 -1.23 0.00 0.00 177.57 176.03 1f54 h MET 36 N 0.15 -1.15 0.00 5.19 4.05 -0.77 -2.40 114.93 120.00 1f54 h MET 36 Ca 0.74 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.24 1f54 h MET 36 Cb 2.34 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 33.40 1f54 h MET 36 CO -0.31 -0.76 0.00 0.00 0.23 0.00 0.00 176.91 176.07 1f54 h ARG 37 N -1.19 0.00 -0.31 0.39 3.08 -0.79 -2.94 114.38 112.63 1f54 h ARG 37 Ca -0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1f54 h ARG 37 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1f54 h ARG 37 CO 0.17 0.00 -0.28 0.77 -1.07 0.00 0.00 179.97 179.57 1f54 h SER 38 N 0.00 0.65 0.05 7.04 0.02 -0.24 -2.64 113.55 118.43 1f54 h SER 38 Ca 0.00 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1f54 h SER 38 Cb 0.46 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1f54 h SER 38 CO 0.00 0.90 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.49 1f54 h LEU 39 N 0.55 0.00 0.00 5.07 3.38 -1.25 -3.44 115.31 119.62 1f54 h LEU 39 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1f54 h LEU 39 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1f54 h LEU 39 CO 0.06 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1f54 n GLY 40 N -1.30 0.96 3.39 0.83 0.00 -1.00 -5.11 105.19 102.97 1f54 n GLY 40 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1f54 n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1f54 s LEU 41 N 0.00 1.84 -0.38 0.99 2.34 -1.19 -5.07 118.68 117.21 1f54 s LEU 41 Ca 0.00 -1.72 -0.01 0.00 0.06 0.00 0.00 54.13 52.45 1f54 s LEU 41 Cb 0.00 0.26 0.19 0.00 -0.56 0.00 0.00 46.19 46.08 1f54 s LEU 41 CO 0.00 -1.01 0.88 -0.44 -1.06 0.00 0.00 176.35 174.72 1f54 s SER 42 N -3.48 -0.85 0.00 1.48 0.01 -1.26 -4.13 113.70 105.46 1f54 s SER 42 Ca 0.32 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1f54 s SER 42 Cb 0.02 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.35 1f54 s SER 42 CO 0.21 -0.08 0.00 -0.81 0.41 0.00 0.00 173.24 172.97 1f54 n PRO 43 N 3.69 1.10 -4.42 12.44 -0.04 -1.26 -5.08 135.00 141.43 1f54 n PRO 43 Ca 0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 1f54 n PRO 43 Cb 0.61 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 1f54 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f54 s SER 44 N -1.41 3.23 0.11 3.54 0.01 -1.26 -5.00 113.70 112.91 1f54 s SER 44 Ca 0.00 -0.99 -0.23 0.00 1.31 0.00 0.00 55.95 56.03 1f54 s SER 44 Cb 0.00 -0.24 -0.07 0.00 0.21 0.00 0.00 66.02 65.92 1f54 s SER 44 CO 0.00 -0.01 1.39 -0.33 0.41 0.00 0.00 173.24 174.70 1f54 h GLU 45 N 2.54 -0.14 -0.75 12.44 4.39 -1.99 0.23 114.58 131.30 1f54 h GLU 45 Ca -0.40 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.47 1f54 h GLU 45 Cb 1.24 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.79 1f54 h GLU 45 CO 0.58 -0.09 0.01 0.00 -1.16 0.00 0.00 179.01 178.35 1f54 h ALA 46 N -0.15 0.78 -0.64 3.43 0.00 -2.00 0.63 119.26 121.31 1f54 h ALA 46 Ca 0.08 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1f54 h ALA 46 Cb 0.37 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1f54 h ALA 46 CO -0.56 -0.42 0.42 1.49 0.00 0.00 0.00 179.25 180.18 1f54 h GLU 47 N 0.11 0.66 -0.23 0.00 4.81 -1.06 -2.12 114.58 116.74 1f54 h GLU 47 Ca 0.41 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 1f54 h GLU 47 Cb 0.72 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1f54 h GLU 47 CO -0.65 0.43 -0.19 0.28 -0.73 0.00 0.00 179.01 178.15 1f54 h VAL 48 N 0.67 1.31 -0.28 0.32 2.07 0.24 -2.27 116.25 118.32 1f54 h VAL 48 Ca 0.27 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1f54 h VAL 48 Cb 0.20 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1f54 h VAL 48 CO -0.08 0.41 -0.15 -1.13 0.02 0.00 0.00 177.57 176.64 1f54 h ASN 49 N 0.24 -0.50 -0.60 0.57 -0.73 -0.52 0.79 115.58 114.84 1f54 h ASN 49 Ca 0.04 0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 1f54 h ASN 49 Cb 0.72 0.27 -0.03 0.00 0.27 0.00 0.00 38.32 39.55 1f54 h ASN 49 CO 0.05 -0.19 0.30 0.44 -0.37 0.00 0.00 177.43 177.67 1f54 h ASP 50 N -0.12 0.77 -0.75 1.15 3.32 -1.49 0.23 116.42 119.53 1f54 h ASP 50 Ca 0.15 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1f54 h ASP 50 Cb 0.34 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1f54 h ASP 50 CO -0.35 0.67 0.48 -0.07 -1.72 0.00 0.00 179.24 178.25 1f54 h LEU 51 N 0.82 0.81 0.09 1.55 3.38 -0.69 -1.98 115.31 119.28 1f54 h LEU 51 Ca 0.21 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1f54 h LEU 51 Cb 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1f54 h LEU 51 CO -0.03 0.56 -0.05 0.24 0.09 0.00 0.00 178.44 179.26 1f54 h MET 52 N 0.95 -0.12 -0.62 1.13 2.86 -0.52 -3.15 114.93 115.46 1f54 h MET 52 Ca 0.30 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 58.12 1f54 h MET 52 Cb -0.01 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1f54 h MET 52 CO -0.10 0.40 0.72 -0.97 1.06 0.00 0.00 176.91 178.02 1f54 h ASN 53 N -0.86 0.00 1.60 1.22 -1.24 -0.49 2.41 115.58 118.22 1f54 h ASN 53 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1f54 h ASN 53 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 1f54 h ASN 53 CO 0.02 0.00 0.00 -0.33 -1.29 0.00 0.00 177.43 175.83 1f54 h GLU 54 N 0.00 0.00 0.00 6.67 4.39 -1.32 -3.35 114.58 120.97 1f54 h GLU 54 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1f54 h GLU 54 Cb 1.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1f54 h GLU 54 CO -0.00 0.00 -0.79 1.51 -1.16 0.00 0.00 179.01 178.57 1f54 n ILE 55 N -2.54 0.00 -2.11 3.13 3.06 0.50 -5.01 119.36 116.40 1f54 n ILE 55 Ca 0.05 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.88 1f54 n ILE 55 Cb 0.45 -0.51 -0.03 0.00 0.54 0.00 0.00 39.64 40.09 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1f54 s ASP 56 N -2.35 6.75 0.00 9.51 -1.08 0.69 -4.86 116.67 125.34 1f54 s ASP 56 Ca 0.00 2.18 0.08 0.00 -0.52 0.00 0.00 52.55 54.29 1f54 s ASP 56 Cb 0.00 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 38.98 1f54 s ASP 56 CO 0.00 -0.83 0.78 0.55 0.52 0.00 0.00 175.17 176.19 1f54 n VAL 57 N 5.06 0.05 0.21 1.11 3.14 -1.26 -4.78 118.33 121.86 1f54 n VAL 57 Ca 0.15 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 1f54 n VAL 57 Cb 0.43 1.14 0.00 0.00 -1.06 0.00 0.00 33.84 34.35 1f54 n VAL 57 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1f54 n ASP 58 N 0.45 -3.69 0.00 6.55 9.92 -1.26 -5.10 116.55 123.42 1f54 n ASP 58 Ca 0.05 0.80 0.00 0.00 -0.53 0.00 0.00 54.79 55.11 1f54 n ASP 58 Cb 0.21 3.48 0.00 0.00 -0.64 0.00 0.00 41.12 44.18 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1f54 n GLY 59 N -1.41 -1.37 2.73 0.44 0.00 -1.26 -5.00 105.19 99.32 1f54 n GLY 59 Ca 0.00 0.52 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 1f54 n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1f54 n ASN 60 N 0.00 6.59 -4.76 1.61 2.85 -1.26 -4.77 115.26 115.52 1f54 n ASN 60 Ca 0.00 -3.64 -0.28 0.00 -0.11 0.00 0.00 54.58 50.54 1f54 n ASN 60 Cb 0.00 -1.05 0.10 0.00 1.24 0.00 0.00 39.78 40.07 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1f54 s HIS 61 N -3.91 2.66 -0.42 1.20 -3.43 -1.26 -4.98 115.29 105.15 1f54 s HIS 61 Ca 0.40 0.59 -0.09 0.00 -0.80 0.00 0.00 55.06 55.15 1f54 s HIS 61 Cb 0.19 -3.55 0.08 0.00 -1.43 0.00 0.00 32.58 27.87 1f54 s HIS 61 CO -0.09 -1.87 0.27 1.14 -2.00 0.00 0.00 174.74 172.18 1f54 s GLN 62 N -5.56 2.62 0.63 -0.38 0.00 -1.26 -4.00 119.66 111.69 1f54 s GLN 62 Ca 0.64 -1.46 -0.16 0.00 -0.00 0.00 0.00 55.36 54.38 1f54 s GLN 62 Cb -0.09 -3.80 -0.02 0.00 0.00 0.00 0.00 33.01 29.10 1f54 s GLN 62 CO 0.49 -0.96 1.11 0.42 0.00 0.00 0.00 175.29 176.35 1f54 s ILE 63 N 1.43 3.25 -0.10 3.63 1.01 0.23 -4.75 121.20 125.90 1f54 s ILE 63 Ca 0.03 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.34 1f54 s ILE 63 Cb -0.23 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 1f54 s ILE 63 CO 0.02 -0.31 -0.20 -1.61 0.00 0.00 0.00 174.94 172.83 1f54 s GLU 64 N -3.89 3.04 0.32 2.79 0.41 -1.26 -0.92 118.70 119.19 1f54 s GLU 64 Ca 0.68 -0.82 0.09 0.00 -0.41 0.00 0.00 54.97 54.52 1f54 s GLU 64 Cb -0.21 -2.38 0.96 0.00 -1.78 0.00 0.00 34.13 30.72 1f54 s GLU 64 CO 0.38 0.25 1.62 0.35 -0.49 0.00 0.00 175.26 177.36 1f54 h PHE 65 N 6.53 0.50 0.00 1.61 3.57 -1.83 0.25 116.94 127.57 1f54 h PHE 65 Ca -0.24 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1f54 h PHE 65 Cb 1.22 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1f54 h PHE 65 CO 0.47 -0.32 0.00 0.43 -2.23 0.00 0.00 178.31 176.66 1f54 n SER 66 N -5.26 0.00 -0.28 0.41 7.64 -1.26 -2.08 113.62 112.79 1f54 n SER 66 Ca 0.28 0.71 0.09 0.00 1.01 0.00 0.00 58.87 60.97 1f54 n SER 66 Cb 0.91 -0.21 0.24 0.00 -1.01 0.00 0.00 64.21 64.14 1f54 n SER 66 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1f54 h GLU 67 N 0.00 0.26 -0.30 1.43 4.22 -1.85 0.23 114.58 118.58 1f54 h GLU 67 Ca 0.00 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1f54 h GLU 67 Cb 0.00 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1f54 h GLU 67 CO 0.00 0.17 -0.24 0.35 -2.18 0.00 0.00 179.01 177.11 1f54 h PHE 68 N 0.27 -0.75 -0.34 0.92 3.57 -0.41 0.54 116.94 120.73 1f54 h PHE 68 Ca 0.48 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.92 1f54 h PHE 68 Cb 0.90 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1f54 h PHE 68 CO -0.25 -0.18 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.35 1f54 h LEU 69 N -0.08 0.79 -1.76 0.59 4.07 -0.82 0.26 115.31 118.37 1f54 h LEU 69 Ca 0.05 -0.43 0.23 0.00 0.08 0.00 0.00 57.88 57.81 1f54 h LEU 69 Cb 0.21 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1f54 h LEU 69 CO -0.32 1.06 0.76 0.00 -1.08 0.00 0.00 178.44 178.85 1f54 h ALA 70 N 0.76 2.62 0.00 1.53 0.00 0.22 -1.26 119.26 123.14 1f54 h ALA 70 Ca 0.07 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1f54 h ALA 70 Cb 0.79 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1f54 h ALA 70 CO 0.06 -1.17 -1.86 1.28 0.00 0.00 0.00 179.25 177.56 1f54 n LEU 71 N -3.72 0.98 0.32 0.00 4.32 0.11 -4.43 117.00 114.58 1f54 n LEU 71 Ca 0.17 -0.03 0.19 0.00 -0.02 0.00 0.00 56.01 56.32 1f54 n LEU 71 Cb 1.03 0.02 1.02 0.00 -1.62 0.00 0.00 43.42 43.88 1f54 n LEU 71 CO 0.30 0.46 1.16 -0.03 -1.22 0.00 0.00 177.39 178.06 1f54 h MET 72 N 0.00 0.00 0.00 3.23 4.05 0.68 -1.35 114.93 121.54 1f54 h MET 72 Ca -0.34 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1f54 h MET 72 Cb 1.69 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.49 1f54 h MET 72 CO -0.01 0.00 0.29 1.03 0.23 0.00 0.00 176.91 178.46 1f54 h SER 73 N 0.00 0.00 -1.12 1.39 0.87 -1.62 -2.20 113.55 110.86 1f54 h SER 73 Ca 0.01 0.00 0.32 0.00 -1.23 0.00 0.00 61.79 60.89 1f54 h SER 73 Cb 0.31 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 1f54 h SER 73 CO -0.00 0.00 1.09 0.03 -0.53 0.00 0.00 176.83 177.42 1f54 h ARG 74 N 0.00 0.00 -1.46 2.24 2.47 -1.56 -3.43 114.38 112.65 1f54 h ARG 74 Ca 0.00 0.00 0.30 0.00 -1.26 0.00 0.00 59.98 59.02 1f54 h ARG 74 Cb 0.59 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.76 1f54 h ARG 74 CO 0.00 0.00 0.82 1.14 0.56 0.00 0.00 179.97 182.49 1f54 s GLN 75 N -4.60 0.37 0.00 0.04 -2.07 -0.83 -5.00 119.66 107.57 1f54 s GLN 75 Ca -0.04 -0.18 0.00 0.00 -1.82 0.00 0.00 55.36 53.32 1f54 s GLN 75 Cb 0.18 0.14 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 1f54 s GLN 75 CO 0.60 -0.17 0.00 -0.11 -1.32 0.00 0.00 175.29 174.29 1f54 n LEU 76 N -0.35 0.00 -0.11 2.60 0.00 -1.26 -4.98 117.00 112.90 1f54 n LEU 76 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 56.01 55.97 1f54 n LEU 76 Cb 0.61 0.11 0.01 0.00 0.00 0.00 0.00 43.42 44.16 1f54 n LEU 76 CO 0.11 -0.11 0.29 0.29 0.00 0.00 0.00 177.39 177.97